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GPCR

NameAtypical chemokine receptor 3
SpeciesHomo sapiens (Human)
GeneACKR3
SynonymC-X-C chemokine receptor type 7
Cxcr7
CXCR-7
CXC-R7
chemokine (C-X-C motif) receptor 7
[ Show all ]
DiseaseAsthma
Cancer
Length362
Amino acid sequenceMDLHLFDYSEPGNFSDISWPCNSSDCIVVDTVMCPNMPNKSVLLYTLSFIYIFIFVIGMIANSVVVWVNIQAKTTGYDTHCYILNLAIADLWVVLTIPVWVVSLVQHNQWPMGELTCKVTHLIFSINLFGSIFFLTCMSVDRYLSITYFTNTPSSRKKMVRRVVCILVWLLAFCVSLPDTYYLKTVTSASNNETYCRSFYPEHSIKEWLIGMELVSVVLGFAVPFSIIAVFYFLLARAISASSDQEKHSSRKIIFSYVVVFLVCWLPYHVAVLLDIFSILHYIPFTCRLEHALFTALHVTQCLSLVHCCVNPVLYSFINRNYRYELMKAFIFKYSAKTGLTKLIDASRVSETEYSALEQSTK
UniProtP25106
Protein Data BankN/A
GPCR-HGmod modelP25106
3D structure modelThis predicted structure model is from GPCR-EXP P25106.
BioLiPN/A
Therapeutic Target DatabaseT10491
ChEMBLCHEMBL2010631
IUPHAR80
DrugBankN/A

Ligand

NameCHEMBL2013233
Molecular formulaC26H30F2N2O3
IUPAC nameN-[(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enyl]-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Molecular weight456.534
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP5.0
SynonymsBDBM50380115
Inchi KeyCFKZMRVRBCKIHV-NBVRZTHBSA-N
Inchi IDInChI=1S/C26H30F2N2O3/c1-18(14-19-5-7-21(27)16-23(19)28)17-30(11-9-22-4-3-10-29(22)2)26(31)20-6-8-24-25(15-20)33-13-12-32-24/h5-8,14-16,22H,3-4,9-13,17H2,1-2H3/b18-14+
PubChem CID59052427
ChEMBLCHEMBL2013233
IUPHARN/A
BindingDB50380115
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki1584.89 nMPMID22424612BindingDB,ChEMBL

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